Chemical Properties of Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester

InChI

InChI=1S/C18H19F7O4/c1-2-3-4-5-10-28-14(26)12-6-8-13(9-7-12)15(27)29-11-16(19,20)17(21,22)18(23,24)25/h6-9H,2-5,10-11H2,1H3

InChI Key

OFSFVJSUESAENW-UHFFFAOYSA-N

Formula

C18H19F7O4

SMILES

CCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)F)cc1

Molecular Weight¹

432.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1619.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2078.41	kJ/mol	Joback Calculated Property
ΔfusH°	40.92	kJ/mol	Joback Calculated Property
ΔvapH°	67.31	kJ/mol	Joback Calculated Property
log10WS	-6.60		Crippen Calculated Property
logPoct/wat	5.413		Crippen Calculated Property
McVol	267.990	ml/mol	McGowan Calculated Property
Pc	1279.16	kPa	Joback Calculated Property
Inp	[2030.00; 2030.00]
Inp	2030.00		NIST
Inp	2030.00		NIST
Tboil	780.68	K	Joback Calculated Property
Tc	964.55	K	Joback Calculated Property
Tfus	487.27	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[819.45; 885.56]	J/mol×K	[780.68; 964.55]
Cp,gas	819.45	J/mol×K	780.68	Joback Calculated Property
Cp,gas	832.56	J/mol×K	811.32	Joback Calculated Property
Cp,gas	844.75	J/mol×K	841.97	Joback Calculated Property
Cp,gas	856.09	J/mol×K	872.61	Joback Calculated Property
Cp,gas	866.63	J/mol×K	903.26	Joback Calculated Property
Cp,gas	876.44	J/mol×K	933.90	Joback Calculated Property
Cp,gas	885.56	J/mol×K	964.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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